renkin 0.24.0 → 0.25.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +2 -0
- package/package.json +1 -1
- package/renkin_bg.wasm +0 -0
package/README.md
CHANGED
|
@@ -344,6 +344,7 @@ for the full acceptance criteria and licensing split.
|
|
|
344
344
|
| **Ring-context safety guard** | `--ring-context-policy conservative --ring-context-sidecar <path>` — opt-in match-level filter that rejects an extracted template's ring-opening/closing disconnection when its historical training data never observed that bond as ring-forming/-breaking; default `disabled` (unchanged legacy behavior) — see [Issue #72](https://github.com/kent-tokyo/renkin/issues/72) |
|
|
345
345
|
| **LightGBM candidate reranker** | `--reranker-model`/`--reranker-freq-table` (CLI) or `reranker_model_path`/`reranker_freq_table_path` (Python) — opt-in, ordering-only re-ranking via a frozen LightGBM model; never changes which candidates are generated, only their order, and reproduces legacy ordering byte-for-byte when off. Paired 100-target route-search gate: `route_to_configured_stock` 16→20 (+4/-0). `python3 scripts/fetch_reranker_model.py` fetches the frozen model (SHA-256-verified, not bundled in any package — see [Roadmap](#roadmap)) |
|
|
346
346
|
| **Coverage mode** (opt-in) | `--search-mode coverage --coverage-templates <path>` (CLI) or `search_mode="coverage"`, `coverage_templates_path=...` (Python) — if the default template set finds no route, automatically escalates to a larger, separately loaded template set, cooperatively cancellable via `--coverage-timeout-secs`. Standard-mode output is byte-for-byte unchanged when not used. `python3 scripts/fetch_coverage_templates.py` fetches the frozen 2,000-template Stage-2 set (SHA-256-verified, not bundled in any package, same reasoning as the reranker model — see [Roadmap](#roadmap)) |
|
|
347
|
+
| **RENKIN Bridge / `audit-route`** | `renkin audit-route route.json [--stock stock.smi] [--output human\|json]` — tool-neutral route audit: structural integrity, stock, and declared-reaction forward-replay validation, each reported independently as `pass`/`fail`/`not_evaluable`, rolled up into a route-level `pass`/`fail`/`partial` verdict. RENKIN-native route JSON only in v0.25.0; the audit model itself is tool-neutral, built to take further source adapters later |
|
|
347
348
|
| **Route scoring** | `confidence`, `step_confidence`, `success_probability` (Retro-prob style), `convergency`, `atom_economy`, `route_cost` (`Σ BB cost + steps×0.5`, or actual prices via `--bb-prices`/`--stock`) per step/route — see caveat below the table |
|
|
348
349
|
| **Step metadata provenance** | Each step reports `metadata_source`/`metadata_scope` so it's machine-readable whether `conditions`/`reaction_family` came from a rule-author default vs. something more grounded; absent (not fabricated) for extracted templates |
|
|
349
350
|
| **Pareto multi-objective search** | `--format pareto` returns a Pareto front across `route_cost`/`success_probability`/`steps`; objectives configurable via `--objectives` |
|
|
@@ -607,6 +608,7 @@ see "Earlier milestones" below for older shipped work.
|
|
|
607
608
|
|
|
608
609
|
### Recently shipped
|
|
609
610
|
|
|
611
|
+
- [x] **RENKIN Bridge Preview** (`renkin audit-route`, shipped v0.25.0) — *Keep your current workflow. Add an auditable second opinion.* A tool-neutral route audit model: structural-integrity, stock, and declared-reaction forward-replay validation, each reported independently as `pass`/`fail`/`not_evaluable`, rolled up into a route-level `pass`/`fail`/`partial` verdict — never a silently force-passed boolean. The audit model is tool-neutral; v0.25.0 ships the first adapter for RENKIN-native route JSON. `renkin audit-route route.json --stock stock.smi --output json` audits every route in a file and aggregates the results into one machine-readable report.
|
|
610
612
|
- [x] Coverage mode (`--search-mode coverage`, [#101](https://github.com/kent-tokyo/renkin/issues/101), shipped v0.24.0) — opt-in Stage-1/Stage-2 template-count escalation, addressing the candidate-generation coverage gap below. Confirmed by a one-shot 500-target formal-TEST (`data/coverage_mode_formal_test/protocol_v2.md`): coverage +6.0pp, net gain +30, zero regressions, zero reranker failures, Stage-2 timeout rate 0.25% — all against pre-registered thresholds. See the Key Features table above for the shipped surface
|
|
611
613
|
- [x] Reranker made actually usable: Python exposure (`find_routes()`'s `reranker_model_path`/`reranker_freq_table_path`) and batteries-included model distribution (`scripts/fetch_reranker_model.py`, SHA-256-verified fetch from the v0.22.0 GitHub Release's canonical assets) ([#101](https://github.com/kent-tokyo/renkin/issues/101), shipped v0.23.0) — v0.22.0 proved the reranker works; v0.23.0 is the usability/distribution unlock, not a new accuracy claim
|
|
612
614
|
- [x] LightGBM candidate reranker, trained/gated offline and wired into route search ([#101](https://github.com/kent-tokyo/renkin/issues/101) Task 35, CLI shipped v0.22.0) — LambdaMART model trained on real USPTO-50k labels, passed its VAL screening gate (top1 +11.7pp, MRR +11.3pp, top10 +9.3pp, bootstrap-CI-confirmed) and a formal 4,903-target TEST evaluation against the frozen model exactly once (top1 +12.7pp, MRR +11.9pp, top10 +9.1pp — consistent magnitude with VAL, no overfitting signal), then wired into `find_routes` as an ordering-only rank bonus and confirmed with a paired 100-target route-search gate: `route_to_configured_stock` 16→20/100 (+4/-0). See the Key Features table above
|
package/package.json
CHANGED
|
@@ -5,7 +5,7 @@
|
|
|
5
5
|
"kent-tokyo <kent-tokyo@users.noreply.github.com>"
|
|
6
6
|
],
|
|
7
7
|
"description": "Ultra-fast retrosynthesis engine for computer-aided synthesis planning (CASP) — pure Rust, WASM-ready, Python bindings via PyO3",
|
|
8
|
-
"version": "0.
|
|
8
|
+
"version": "0.25.0",
|
|
9
9
|
"license": "MIT",
|
|
10
10
|
"repository": {
|
|
11
11
|
"type": "git",
|
package/renkin_bg.wasm
CHANGED
|
Binary file
|